Atomic packing symmetry in the metallic liquid and glass states

Liu, X. J.; Xu, Yong; Lu, Z. P.; Xian, Hui; Chen, G. L.; Zheng, Guang; Liu, C. T.

doi:10.1016/j.actamat.2011.07.012

Cited by 46 publications

(18 citation statements)

References 35 publications

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“…This splitting feature encoded in the inherent structure is not observed in instantaneous configurations of high-temperature liquids, only because of the smearing due to thermal vibration. This is at odds with most of previously proposed mechanisms attributing the splitting solely to extra structural ordering during the transition from the liquid to the glassy state, including intensified icosahedral order, 91 appearance of local translational symmetry, 36,101 or "Bergman triacontahedron" packing. 107 Instead, the splitting second peak in g(r) for MGs can be inherited for the most part from the inherent structure of liquids, and not fundamentally determined by the appearance (or not) of new local order developed during cooling towards glass transition.…”

Section: -100contrasting

confidence: 54%

“…7a, b, Liu et al 36 employed both MD simulation and synchrotron X-ray scattering Structural evolution in metallic glasses and supercooled liquids J Ding and E Ma experiment to measure the peak positions in g(r), R i (for the ith peak), for various MGs/liquids. 101 As illustrated in Fig. 7b, they summarized that the peak positions for MGs, normalized to that of the first peak R 1 , are in the sequence of R i /R 1 ≈ 1, 1.73, 2, 2.65, 3.46…Liu et al 36,101 concluded that atomic packing in MGs can be described globally as the local translation symmetry superimposed on the spherical-periodic order, where the sphericalperiodic order predicts…”

Section: -100mentioning

confidence: 99%

“…101 As illustrated in Fig. 7b, they summarized that the peak positions for MGs, normalized to that of the first peak R 1 , are in the sequence of R i /R 1 ≈ 1, 1.73, 2, 2.65, 3.46…Liu et al 36,101 concluded that atomic packing in MGs can be described globally as the local translation symmetry superimposed on the spherical-periodic order, where the sphericalperiodic order predicts…”

Section: -100mentioning

confidence: 99%

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Computational modeling sheds light on structural evolution in metallic glasses and supercooled liquids

Ding

2017

npj Comput Mater

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This article presents an overview of three challenging issues that are currently being debated in the community researching on the evolution of amorphous structures in metallic glasses and their parent supercooled liquids. Our emphasis is on the valuable insights acquired in recent computational analyses that have supplemented experimental investigations. The first idea is to use the local structural order developed, and in particular its evolution during undercooling, as a signature indicator to rationalize the experimentally observed temperature-dependence of viscosity, hence suggesting a possible structural origin of liquid fragility. The second issue concerns with the claim that the average nearest-neighbor distance in metallic melts contracts rather than expands upon heating, concurrent with a reduced coordination number. This postulate is, however, based on the shift of the first peak maximum in the pair distribution function and an average bond length determined from nearest neighbors designated using a distance cutoff. These can instead be a result of increasing skewness of the broad first peak, upon thermally exacerbated asymmetric distribution of neighboring atoms activated to shorter and longer distances under the anharmonic interatomic interaction potential. The third topic deals with crystal-like peak positions in the pair distribution function of metallic glasses. These peak locations can be explained using various connection schemes of coordination polyhedra, and found to be present already in high-temperature liquids without hidden crystal order. We also present an outlook to invite more in-depth computational research to fully settle these issues in future, and to establish more robust structure-property relations in amorphous alloys.npj Computational Materials (2017) 3:9 ;

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Section: -100contrasting

confidence: 54%

Section: -100mentioning

confidence: 99%

Section: -100mentioning

confidence: 99%

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Computational modeling sheds light on structural evolution in metallic glasses and supercooled liquids

Ding

2017

npj Comput Mater

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“…These R i /R 1 ratio values are in good agreement with theoretical model based on spherical-periodic order (SPO) combined with the local translational symmetry (LTS) of atomic arrangements in MGs [24], and also consistent with experimental observations on multicomponent MGs [23]. However, it is found that the dominant Voronoi polyhedra in Ta monatomic MG is the distorted icosahedra h0, 1, 10, 2i instead of the full icosahedra h0, 0, 12, 0i, which has been identified as the basic local structure in many binary and ternary MGs [10][11][12][13][14][15][16][17][18][19][20].…”

Section: Introductionsupporting

confidence: 87%

“…To this goal, the pair distribution function (PDF) and the fraction of various Voronoi polyhedra are used to characterize the atomic-level structures in Ta liquid and Ta monatomic MG. The splitting of the second peak in the PDF of Ta Ma is observed as previously reported in other MGs [10,15,18,23], indicating the transition from the metallic liquid to glass state. Furthermore, it is found that the ratios of the PDF peak positions R i (i = 1, 2, 3, 4) over the first peak…”

Section: Introductionsupporting

confidence: 67%